CID 34649

P-cyclopropyl-alpha-((isopropylamino)methyl)-benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)NCC(C1=CC=C(C=C1)C2CC2)O
InChI
InChI=1S/C14H21NO/c1-10(2)15-9-14(16)13-7-5-12(6-8-13)11-3-4-11/h5-8,10-11,14-16H,3-4,9H2,1-2H3
InChIKey
ZUJNDDLMYRXHOU-UHFFFAOYSA-N
Compound name
1-(4-cyclopropylphenyl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 146.6
[M+Na]+ 242.151528 153.0
[M-H]- 218.155034 152.5
[M+NH4]+ 237.196133 159.4
[M+K]+ 258.125468 149.5
[M+H-H2O]+ 202.159570 139.9
[M+HCOO]- 264.160511 168.1
[M+CH3COO]- 278.176161 194.8
[M+Na-2H]- 240.136976 150.0
[M]+ 219.16176142 147.6
[M]- 219.16285858 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.